SCHEMBL7848870

SCHEMBL7848870

O=C(Nc1ccc2ccccc2n1)Nc1nccs1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.67
KMT2A Q03164 7/20 0.67
RAB9A P51151 7/20 0.67
MEN1 O00255 5/20 0.67
MAPK1 P28482 1/20 0.65
AURKA O14965 1/20 0.61
PIM1 P11309 1/20 0.61
CDK2 P24941 1/20 0.61
GSK3B P49841 1/20 0.61
MAPT P10636 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CASP3 P42574 1/20 0.51
HTT P42858 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27657075 0.83 KMT2A (0.83) NPC1KMT2ARAB9AMAPK1MAPT
SCHEMBL15113555 0.82 KMT2A (0.60) NPC1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL16217138 0.81 RAB9A (0.56) NPC1KMT2ARAB9AMEN1MAPK1
SCHEMBL8895139 0.81 RAB9A (1.00) NPC1KMT2ARAB9AMEN1MAPT
SCHEMBL31078859 0.76 KMT2A (1.00) NPC1KMT2ARAB9AMEN1MAPK1
SCHEMBL4600722 0.76 AURKA (1.00) NPC1KMT2ARAB9AMEN1MAPK1
SCHEMBL27854284 0.76 KMT2A (0.62) NPC1KMT2ARAB9AMEN1MAPK1
SCHEMBL6284808 0.75 CDK2 (0.64) NPC1KMT2ARAB9AMAPK1CDK2
SCHEMBL5343265 0.74 CDK5 (0.69) NPC1KMT2ARAB9AMAPK1CDK2
SCHEMBL28056008 0.72 NPC1 (0.72) NPC1KMT2ARAB9AMAPK1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124811-A1 2-UREIDO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2001-08-22 EP disclosed
WO-2000026203-A1 2-UREIDO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2000-05-11 WO disclosed